SCHEMBL3708300

SCHEMBL3708300

CN1Cc2ccc(Nc3ccc(-c4cnn(C)c4)cn3)nc2OC(c2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.38
GSK3B P49841 7/20 0.36
DYRK1A Q13627 7/20 0.36
WNT1 P04628 6/20 0.36
GPR55 Q9Y2T6 1/20 0.36
CREBBP Q92793 1/20 0.36
ALK Q9UM73 1/20 0.35
MAP4K3 Q8IVH8 1/20 0.35
MAP4K1 Q92918 1/20 0.35
EP300 Q09472 5/20 0.35
MAPK1 P28482 2/20 0.35
AURKB Q96GD4 2/20 0.35
MAP3K5 Q99683 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3708296 1.00 CTSC (0.38) CTSCGSK3BDYRK1AWNT1GPR55
SCHEMBL3740771 0.91 NAMPT (0.40) GSK3BDYRK1AWNT1ALKMAP4K3
SCHEMBL3740767 0.91 NAMPT (0.40) GSK3BDYRK1AWNT1ALKMAP4K3
SCHEMBL3741178 0.85 FLT3 (0.36) DYRK1AMAP4K3MAP4K1EP300
SCHEMBL3741173 0.85 FLT3 (0.36) DYRK1AMAP4K3MAP4K1EP300
SCHEMBL3704141 0.84 GSK3B (0.37) CTSCGSK3BDYRK1AWNT1GPR55
SCHEMBL3704139 0.84 GSK3B (0.37) CTSCGSK3BDYRK1AWNT1GPR55
SCHEMBL3706768 0.84 PSEN1 (0.36) DYRK1AMAP4K1
SCHEMBL3706764 0.84 PSEN1 (0.36) DYRK1AMAP4K1
SCHEMBL3746191 0.84 USP30 (0.41) GSK3BDYRK1AWNT1CREBBP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO claimed
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases APP, BACE1, PSEN1 CTSC 352/4885GSK3B 152/4885DYRK1A 4505/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.